3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

C11H11N3O3 — CID 83864095

IUPAC3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(N)cc2C(=O)O)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(11(15)16)6-10(12)13-14/h2-6H,1H3,(H2,12,13)(H,15,16)
InChIKeyUKIITJIPYFYKOM-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.16
Rot. Bonds3

About 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 83864095) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID83864095
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(N)cc2C(=O)O)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(11(15)16)6-10(12)13-14/h2-6H,1H3,(H2,12,13)(H,15,16)
InChIKeyUKIITJIPYFYKOM-UHFFFAOYSA-N
XLogP1.16
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
5-amino-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817614
3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 83864128
1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
CID 83872098
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
3-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 86280199
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (CID 83864095) is 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is COc1ccc(-n2nc(N)cc2C(=O)O)cc1.
What is the InChIKey of 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is UKIITJIPYFYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(11(15)16)6-10(12)13-14/h2-6H,1H3,(H2,12,13)(H,15,16).
What are the key properties of 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83864095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).